Acta Crystallographica Section EStructure Reports Online was launched in January 2001 as the IUCr's first electronic-only journal. It is a rapid communication journal for the publication of concise reports on inorganic, metal-organic and organic structures, and benefits from an enhanced electronic publication procedure. Each published report includes a set of key indicators, giving a summary of the main descriptors of the precision and completeness of the study, with indications of problems such as disorder. The publication...(R)-()-3-Hydroxyquinuclidinium chloride- April 16, 2008 The quinuclidinium cation of the title compound, C7H14NO+Cl, shows a twist along the CN pseudo-threefold axis, with NCCC torsion angles of 16.0(1), 16.9(1) and 15.6(1). The crystal structure is stabilized by NH...Cl and OH...Cl hydrogen bonds, forming infinite chains along the a and b axes.http://scripts.iucr.org/cgi-bin/paper?pk2091 1,4-Dimethyl-3-phenyl-3H-pyrazolo3,4-cisoquinolin-5(4H)-one- April 16, 2008 The title compound, C18H15N3O, is the product of the thermal decomposition of the diazonium salt derived from 2-amino-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide. It is characterized by a trans orientation of the methyl groups with respect to the tricyclic ring system. The molecule has a nearly planar phenylpyrazolo3,4-cisoquinolin-5-one system, the largest deviation from the mean plane being 0.066(2) for the O atom. The dihedral angle between the phenyl substituent and the...http://scripts.iucr.org/cgi-bin/paper?fj2107 1-Methyl-3-phenylsulfonyl-2-piperidone- April 16, 2008 The piperidone ring in the title compound, C12H15NO3S, has a slightly distorted half-chair conformation with the methyl, carbonyl and phenylsulfonyl ring substituents occupying equatorial, equatorial and axial positions, respectively. Molecules are connected into centrosymmetric dimers via CH...O interactions and these associate into layers via CH...OS contacts. Further CH...O interactions involving both the carbonyl and sulfonyl O atoms consolidate the crystal packing by providing connections..http://scripts.iucr.org/cgi-bin/paper?ng2443 cis-Dichloridobis2-(hydroxymethyl)tetrahydrofuran-2O,Omanganese(II)- April 10, 2008 The structure of the title compound, MnCl2(C5H10O2)2, was solved from low-temperature data collected at 100(2)K. The asymmetric unit contains one half-molecule with the MnII ion located on a twofold axis. A distorted octahedral environment around the Mn atom is formed by two ether and two hydroxyl O atoms of two 2-(hydroxymethyl)tetrahydrofuran ligands, and by two chloride ions. The chelating tetrahydrofuran ligands, which form five-membered rings, are cis oriented. The crystal structure is...http://scripts.iucr.org/cgi-bin/paper?kp2165 Bis(1H-imidazole-N3)bis(1-naphthaleneacetato-2O,O)cadmium(II)- April 10, 2008 In the mononuclear title compound, Cd(C12H9O2)2(C3H4N2)2, the CdII centre has a distorted octahedral coordination geometry defined by four O atoms from two naphthaleneacetate ligands and two N atoms from two imidazole ligands. The molecules are linked by NH...O hydrogen bonds, forming a layer network.http://scripts.iucr.org/cgi-bin/paper?ng2436 (2,2-Bipyridine-2N,N)bis(4-methylbenzoato-2O,O)zinc(II)- April 10, 2008 In the title compound, Zn(C8H7O2)2(C10H8N2), the ZnII atom is coordinated by four O atoms from two chelating 4-methylbenzoate ligands and two N atoms from a 2,2-bipyridine ligand, displaying a disordered octahedral geometry. CH...O hydrogen bonds connect the complex molecules into a three-dimensional supramolecular structure.http://scripts.iucr.org/cgi-bin/paper?hy2125 Polydiaquabis-(2,4-dichlorophenoxy)acetatocalcium(II) monohydrate- April 10, 2008 In the title coordination polymer, Ca(C8H5Cl2O3)2(H2O)2H2On, the CaII atom is eight-coordinated by six O atoms from four different (2,4-dichlorophenoxy)acetate ligands and two water molecules, and displays a distorted square-antiprismatic coordination geometry. The compound forms an infinite zigzag chain through connection of the metal centers by (2,4-dichlorphenoxy)acetate ligands and hydrogen bonding of coordinated and interstitial water molecules. These chains are further hydrogen bonded...http://scripts.iucr.org/cgi-bin/paper?zl2102 Aquabis(1H-imidazole-N3)bis(4-methylbenzoato)-O;O,O-nickel(II)- April 10, 2008 In the mononuclear title compound, Ni(C8H7O2)2(C3H4N2)2(H2O), the NiII atom is coordinated by three carboxylate O atoms (from a bidentate 4-methylbenzoate ligand and a monodentate 4-methylbenzoate ligand), two N atoms (from two imidazole ligands) and a water molecule in an octahedral geometry. Intermolecular OH...O hydrogen-bonding interactions lead to infinite chains, which are further self-assembled into a supramolecular network through intermolecular NH...O hydrogen-bonding interactions and .http://scripts.iucr.org/cgi-bin/paper?ng2442 Poly(-3,5-dinitro-2-oxidobenzoato)(-3-hydroxypyridine)copper(II)- April 10, 2008 A new coordination polymer, Cu(C7H2N2O7)(C5H5NO)n, exhibits a double-chain structure, in which 3,5-dinitro-2-oxidobenzoate and 3-hydroxypyridine both act as bridging ligands, connecting adjacent copper(II) centers to form an infinite double-stranded chain. The asymmetric unit contains one CuII ion, one 3,5-dinitro-2-oxidobenzoate ligand and a 3-hydroxypyridine ligand. Coordination by one N atom and three O atoms from two different 3,5-dinitro-2-oxidobenzoate ligands and a 3-hydroxypyridine...http://scripts.iucr.org/cgi-bin/paper?zl2099 Polyaqua(2-oxalato)(4-oxidopyridinium)erbium(II)- April 10, 2008 The title complex, Er(C5H5NO)(C2O4)(H2O)n, is a new erbium polymer based on oxalate and 4-oxidopyridinium ligands. The ErII center is coordinated by six O atoms from three oxalate ligands, one O atom from a 4-oxidopyridinium ligand and one water molecule, and displays a distorted square-antiprismatic coordination geometry. The oxalate ligands are both chelating and bridging, and link ErII ions, forming Eroxalate layers in which the attached water and 4-oxidopyridinium units point alternately up.http://scripts.iucr.org/cgi-bin/paper?zl2097 |